UCSF

ZINC36887072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.38 7.16 -56.2 3 4 1 58 293.391 3
Hi High (pH 8-9.5) 2.38 6.76 -12.6 2 4 0 57 292.383 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )